CID 54698260

Schembl2206636

Structural Information

Molecular Formula
C18H19FN4O4
SMILES
CC(=O)N1CN2C(=O)C(=C(N=C2C1(C)C)C(=O)NCC3=CC=C(C=C3)F)O
InChI
InChI=1S/C18H19FN4O4/c1-10(24)23-9-22-16(27)14(25)13(21-17(22)18(23,2)3)15(26)20-8-11-4-6-12(19)7-5-11/h4-7,25H,8-9H2,1-3H3,(H,20,26)
InChIKey
JCXBKTYWWNIBQP-UHFFFAOYSA-N
Compound name
7-acetyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-8,8-dimethyl-4-oxo-6H-imidazo[1,5-a]pyrimidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

374.13904 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14632 185.1
[M+Na]+ 397.12826 195.1
[M-H]- 373.13176 187.6
[M+NH4]+ 392.17286 197.4
[M+K]+ 413.10220 190.4
[M+H-H2O]+ 357.13630 176.0
[M+HCOO]- 419.13724 200.9
[M+CH3COO]- 433.15289 218.9
[M+Na-2H]- 395.11371 185.2
[M]+ 374.13849 186.8
[M]- 374.13959 186.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.